2,2,2-trifluoro-N-methyl-1-(2,3,5,6-tetramethylphenyl)ethanamine

C13H18F3N — CID 43483979

IUPAC2,2,2-trifluoro-N-methyl-1-(2,3,5,6-tetramethylphenyl)ethanamine
SMILESCNC(c1c(C)c(C)cc(C)c1C)C(F)(F)F
InChIInChI=1S/C13H18F3N/c1-7-6-8(2)10(4)11(9(7)3)12(17-5)13(14,15)16/h6,12,17H,1-5H3
InChIKeyNZCDMZNPMMXZOH-UHFFFAOYSA-N
MW245.29 g/mol
LogP3.74
Rot. Bonds2

About 2,2,2-trifluoro-N-methyl-1-(2,3,5,6-tetramethylphenyl)ethanamine

2,2,2-trifluoro-N-methyl-1-(2,3,5,6-tetramethylphenyl)ethanamine (PubChem CID 43483979) has the molecular formula C13H18F3N and a molecular weight of 245.29 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-1-(2,3,5,6-tetramethylphenyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-1-(2,3,5,6-tetramethylphenyl)ethanamine
PubChem CID43483979
Molecular FormulaC13H18F3N
Molecular Weight245.29 g/mol
Exact Mass245.14
IUPAC Name2,2,2-trifluoro-N-methyl-1-(2,3,5,6-tetramethylphenyl)ethanamine
SMILESCNC(c1c(C)c(C)cc(C)c1C)C(F)(F)F
InChIInChI=1S/C13H18F3N/c1-7-6-8(2)10(4)11(9(7)3)12(17-5)13(14,15)16/h6,12,17H,1-5H3
InChIKeyNZCDMZNPMMXZOH-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-1-(2,3,5,6-tetramethylphenyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-methyl-1-(2,3,5,6-tetramethylphenyl)ethanamine (CID 43483979) is 2,2,2-trifluoro-N-methyl-1-(2,3,5,6-tetramethylphenyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-1-(2,3,5,6-tetramethylphenyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-1-(2,3,5,6-tetramethylphenyl)ethanamine is CNC(c1c(C)c(C)cc(C)c1C)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-1-(2,3,5,6-tetramethylphenyl)ethanamine?
The InChIKey is NZCDMZNPMMXZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N/c1-7-6-8(2)10(4)11(9(7)3)12(17-5)13(14,15)16/h6,12,17H,1-5H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-1-(2,3,5,6-tetramethylphenyl)ethanamine?
2,2,2-trifluoro-N-methyl-1-(2,3,5,6-tetramethylphenyl)ethanamine has a molecular weight of 245.29 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-1-(2,3,5,6-tetramethylphenyl)ethanamine is sourced from PubChem (CID 43483979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).